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this way its contribution is not double counted when determining the "Other" time data.
correction of cutsq[mtype].z instead of extra[j].x !
the read_data is not reading slater boolean of pair_coeff
also re-create reference log files
we don't make it default yet.
…evelop/standalone)
The following is a list of pull requests affecting LAMMPS merged since 2025-04-30: - 838 More functional tests Colvars/colvars#838 (@jhenin, @giacomofiorin) - 829 fix: try fixing the orientation sign Colvars/colvars#829 (@HanatoK) - 828 fix: fix the gradients of the eigenvector CVC Colvars/colvars#828 (@HanatoK, @jhenin) - 824 fix: fix a potential issue of "fit gradients" for non-scalar components with only centering but not rotating Colvars/colvars#824 (@HanatoK, @jhenin) - 808 fix: fix the calculation of bias factor with off-grid hills Colvars/colvars#808 (@HanatoK) Authors: @giacomofiorin, @HanatoK, @jhenin
Colvars bugfixes targeting LAMMPS maintenance release
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Summary
This pull request is for a git rebase and cherrypicking for CHEM-281 exercise 2. In this exercise, the commits in the rigid-shear branch were squashed and combined into one overall commit, and one recent commit from the maintenance branch was cherrypicked, and the order of the two commits were reversed.